1-(1-benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone

C15H12N2O2S — CID 2355284

IUPAC1-(1-benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
SMILESCc1ccnc(SCC(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C15H12N2O2S/c1-10-6-7-16-15(17-10)20-9-12(18)14-8-11-4-2-3-5-13(11)19-14/h2-8H,9H2,1H3
InChIKeyOPXRNBNWRVIAMF-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.51
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone

1-(1-benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone (PubChem CID 2355284) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
PubChem CID2355284
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name1-(1-benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
SMILESCc1ccnc(SCC(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C15H12N2O2S/c1-10-6-7-16-15(17-10)20-9-12(18)14-8-11-4-2-3-5-13(11)19-14/h2-8H,9H2,1H3
InChIKeyOPXRNBNWRVIAMF-UHFFFAOYSA-N
XLogP3.51
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone (CID 2355284) is 1-(1-benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone is Cc1ccnc(SCC(=O)c2cc3ccccc3o2)n1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone?
The InChIKey is OPXRNBNWRVIAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-10-6-7-16-15(17-10)20-9-12(18)14-8-11-4-2-3-5-13(11)19-14/h2-8H,9H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone?
1-(1-benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone has a molecular weight of 284.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone is sourced from PubChem (CID 2355284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).